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[ CAS No. 201484-50-6 ] {[proInfo.proName]}

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Chemical Structure| 201484-50-6
Chemical Structure| 201484-50-6
Structure of 201484-50-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 201484-50-6 ]

CAS No. :201484-50-6 MDL No. :MFCD00672337
Formula : C30H25NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :PENQOTJCVODUQU-NDEPHWFRSA-N
M.W : 463.52 Pubchem ID :2761488
Synonyms :

Calculated chemistry of [ 201484-50-6 ]

Physicochemical Properties

Num. heavy atoms : 35
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.13
Num. rotatable bonds : 9
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 134.15
TPSA : 75.63 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.29
Log Po/w (XLOGP3) : 6.1
Log Po/w (WLOGP) : 5.81
Log Po/w (MLOGP) : 4.41
Log Po/w (SILICOS-IT) : 5.34
Consensus Log Po/w : 4.99

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -6.47
Solubility : 0.000157 mg/ml ; 0.000000339 mol/l
Class : Poorly soluble
Log S (Ali) : -7.47
Solubility : 0.0000157 mg/ml ; 0.0000000339 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.47
Solubility : 0.000000158 mg/ml ; 0.0000000003 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.51

Safety of [ 201484-50-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P273 UN#:N/A
Hazard Statements:H302-H412 Packing Group:N/A
GHS Pictogram:
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